Sugi Predict

Sugi Predict / Compounds / SCHEMBL3000709

SCHEMBL3000709

SCHEMBL3000709

CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2ccc(Cl)nn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 4/20 0.65
▸ NPC1 O15118 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MAPK14 Q16539 3/20 0.42
▸ SMO Q99835 3/20 0.42
▸ PDE10A Q9Y233 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ADAMTS4 O75173 1/20 0.39
▸ SYK P43405 5/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ INCENP Q9NQS7 1/20 0.38
▸ PARP10 Q53GL7 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ MAOB P27338 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL480478 0.90 ALOX5AP (0.80) ALOX5APNPC1MAPTRAB9AMAPK14
SCHEMBL9924148 0.90 ALOX5AP (0.71) ALOX5APNPC1MAPTRAB9AMAPK14
SCHEMBL480228 0.90 ALOX5AP (0.58) ALOX5APNPC1MAPTRAB9AMAPK14
SCHEMBL2999380 0.88 ALOX5AP (0.66) ALOX5APNPC1MAPTRAB9AMAPK14
SCHEMBL3626552 0.88 ALOX5AP (0.66) ALOX5APNPC1MAPTRAB9AMAPK14
SCHEMBL3003688 0.88 ALOX5AP (0.65) ALOX5APNPC1MAPTRAB9AMAPK14
SCHEMBL3000899 0.88 ALOX5AP (0.65) ALOX5APNPC1MAPTRAB9AMAPK14
SCHEMBL2989772 0.88 ALOX5AP (0.65) ALOX5APNPC1MAPTRAB9AMAPK14
SCHEMBL3002644 0.87 ALOX5AP (0.66) ALOX5APNPC1MAPTRAB9AMAPK14
SCHEMBL2993422 0.86 ALOX5AP (0.70) ALOX5APNPC1MAPTRAB9AMAPK14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2546232-A1 Diphenyl Substituted Alkanes Merck Sharp & Dohme Corp. (US) 2013-01-16 — — EP disclosed
EP-2546232-A1 Diphenyl Substituted Alkanes Merck Sharp & Dohme Corp. (US) 2013-01-16 — — EP disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 — — US disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 — — US disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 — — US disclosed
EP-2170065-A1 DIPHENYL SUBSTITUTED ALKANES Merck Sharp & Dohme Corp. (US) 2010-04-07 — — EP disclosed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B ALOX5AP 15/4885NPC1 603/4885MAPT 4788/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.